#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4c n GLY 12 N 0.00 1.81 3.07 -0.02 0.00 -1.26 -4.98 105.19 103.80 1r4c n GLY 12 Ca 0.00 -0.69 -0.54 0.00 0.00 0.00 0.00 46.02 44.78 1r4c n GLY 12 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1r4c n PRO 13 N 0.08 0.00 -4.02 1.61 -0.02 -1.26 -4.91 135.00 126.48 1r4c n PRO 13 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.24 1r4c n PRO 13 Cb 0.00 -1.26 -0.04 0.00 -0.02 0.00 0.00 33.50 32.18 1r4c n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r4c s MET 14 N 1.57 3.20 0.59 -0.52 0.23 0.67 -4.84 119.30 120.19 1r4c s MET 14 Ca 0.84 -0.79 -0.20 0.00 -1.03 0.00 0.00 55.69 54.50 1r4c s MET 14 Cb -1.19 -2.79 -0.03 0.00 -1.53 0.00 0.00 34.83 29.30 1r4c s MET 14 CO 0.61 0.47 1.33 -0.51 -2.03 0.00 0.00 175.02 174.89 1r4c s ASP 15 N -3.48 4.99 -0.01 -1.18 -0.00 -1.26 -1.15 116.67 114.59 1r4c s ASP 15 Ca 0.33 2.71 0.02 0.00 -0.00 0.00 0.00 52.55 55.61 1r4c s ASP 15 Cb -0.10 -2.63 -0.00 0.00 -0.00 0.00 0.00 42.92 40.19 1r4c s ASP 15 CO 0.27 -1.75 -0.06 0.00 -0.00 0.00 0.00 175.17 173.62 1r4c s ALA 16 N -1.34 0.53 0.25 5.23 0.00 -0.96 -4.72 121.76 120.75 1r4c s ALA 16 Ca 0.76 -0.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 1r4c s ALA 16 Cb -0.39 -0.16 -0.09 0.00 0.00 0.00 0.00 23.12 22.48 1r4c s ALA 16 CO 0.45 0.11 1.06 0.45 0.00 0.00 0.00 175.76 177.83 1r4c s SER 17 N -0.04 7.36 0.14 0.00 0.15 -1.26 -4.62 113.70 115.42 1r4c s SER 17 Ca 0.01 2.15 0.14 0.00 0.70 0.00 0.00 55.95 58.95 1r4c s SER 17 Cb -0.04 -2.62 0.65 0.00 -1.71 0.00 0.00 66.02 62.31 1r4c s SER 17 CO -0.00 -0.09 1.43 1.33 1.20 0.00 0.00 173.24 177.11 1r4c n VAL 18 N 1.52 1.28 1.15 4.45 0.24 -1.26 -1.76 118.33 123.94 1r4c n VAL 18 Ca -0.01 0.45 0.13 0.00 -2.04 0.00 0.00 64.34 62.87 1r4c n VAL 18 Cb 0.46 -1.38 0.36 0.00 -1.47 0.00 0.00 33.84 31.80 1r4c n VAL 18 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1r4c n GLU 19 N -1.85 0.44 -2.26 7.34 -0.58 -1.26 -4.39 120.64 118.08 1r4c n GLU 19 Ca 0.01 -0.24 -0.39 0.00 -0.42 0.00 0.00 57.16 56.11 1r4c n GLU 19 Cb 0.09 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.45 1r4c n GLU 19 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1r4c s GLU 20 N -2.73 4.26 0.24 3.49 2.02 -0.73 -4.87 118.70 120.39 1r4c s GLU 20 Ca 0.19 1.97 -0.06 0.00 0.02 0.00 0.00 54.97 57.09 1r4c s GLU 20 Cb 0.19 -2.91 0.32 0.00 0.10 0.00 0.00 34.13 31.83 1r4c s GLU 20 CO 0.59 -0.18 1.86 1.49 0.02 0.00 0.00 175.26 179.04 1r4c h GLU 21 N 3.11 0.99 -0.14 1.61 4.57 -1.91 0.13 114.58 122.94 1r4c h GLU 21 Ca -0.48 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 57.63 1r4c h GLU 21 Cb 1.23 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.59 1r4c h GLU 21 CO 0.64 0.66 0.07 0.78 -1.18 0.00 0.00 179.01 179.98 1r4c h GLY 22 N 1.02 0.21 0.84 1.92 0.00 -1.96 0.11 103.07 105.21 1r4c h GLY 22 Ca 0.37 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.62 1r4c h GLY 22 CO -0.16 0.10 0.05 -2.08 0.00 0.00 0.00 176.54 174.45 1r4c h VAL 23 N 0.12 0.94 -0.83 4.60 2.07 -1.63 0.25 116.25 121.77 1r4c h VAL 23 Ca 0.05 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1r4c h VAL 23 Cb 0.09 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1r4c h VAL 23 CO -0.01 0.03 0.55 0.03 0.02 0.00 0.00 177.57 178.19 1r4c h ARG 24 N 0.14 1.08 -0.32 1.57 3.08 -0.72 0.18 114.38 119.39 1r4c h ARG 24 Ca 0.08 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.90 1r4c h ARG 24 Cb 0.06 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 1r4c h ARG 24 CO -0.09 0.71 -0.44 0.00 -1.07 0.00 0.00 179.97 179.09 1r4c h ARG 25 N 1.11 0.85 -0.63 0.04 3.08 -0.41 -2.07 114.38 116.35 1r4c h ARG 25 Ca 0.31 -0.50 0.06 0.00 0.07 0.00 0.00 59.98 59.92 1r4c h ARG 25 Cb -0.10 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 1r4c h ARG 25 CO -0.08 1.13 0.34 0.00 -1.07 0.00 0.00 179.97 180.30 1r4c h ALA 26 N 0.71 0.84 -0.02 0.04 0.00 0.41 0.11 119.26 121.34 1r4c h ALA 26 Ca 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1r4c h ALA 26 Cb 1.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1r4c h ALA 26 CO 0.10 0.01 0.01 1.25 0.00 0.00 0.00 179.25 180.62 1r4c h LEU 27 N 0.63 0.04 -0.77 0.00 5.85 -0.52 0.08 115.31 120.62 1r4c h LEU 27 Ca 0.28 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1r4c h LEU 27 Cb 0.19 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1r4c h LEU 27 CO -0.18 0.24 0.51 0.44 -0.34 0.00 0.00 178.44 179.11 1r4c h ASP 28 N -0.17 0.88 -0.17 1.25 3.45 -1.14 -0.66 116.42 119.86 1r4c h ASP 28 Ca 0.01 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1r4c h ASP 28 Cb 0.21 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1r4c h ASP 28 CO -0.00 0.64 0.11 0.15 -1.57 0.00 0.00 179.24 178.56 1r4c h PHE 29 N 1.04 0.22 -0.54 4.55 3.57 -0.73 -1.76 116.94 123.29 1r4c h PHE 29 Ca 0.29 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 1r4c h PHE 29 Cb -0.11 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1r4c h PHE 29 CO -0.02 0.16 0.22 0.00 -2.23 0.00 0.00 178.31 176.44 1r4c h ALA 30 N 1.04 0.69 -0.69 2.41 0.00 -0.29 -1.71 119.26 120.71 1r4c h ALA 30 Ca 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1r4c h ALA 30 Cb 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1r4c h ALA 30 CO -0.01 0.30 0.32 0.28 0.00 0.00 0.00 179.25 180.14 1r4c h VAL 31 N 0.72 1.23 -0.77 0.00 2.07 -1.07 0.74 116.25 119.18 1r4c h VAL 31 Ca 0.18 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.06 1r4c h VAL 31 Cb 0.18 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 1r4c h VAL 31 CO -0.02 0.28 0.49 1.23 0.02 0.00 0.00 177.57 179.57 1r4c h GLY 32 N 0.96 1.10 1.20 2.17 0.00 -0.98 -0.06 103.07 107.47 1r4c h GLY 32 Ca 0.24 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 1r4c h GLY 32 CO -0.03 0.32 -0.23 0.83 0.00 0.00 0.00 176.54 177.43 1r4c h GLU 33 N 0.96 0.91 -0.13 4.80 4.39 -0.73 -0.34 114.58 124.44 1r4c h GLU 33 Ca 0.30 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1r4c h GLU 33 Cb -0.01 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1r4c h GLU 33 CO -0.10 1.04 0.08 -0.92 -1.16 0.00 0.00 179.01 177.95 1r4c h TYR 34 N 0.79 0.17 -0.39 4.33 3.20 -0.50 -1.88 116.97 122.68 1r4c h TYR 34 Ca 0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1r4c h TYR 34 Cb 0.79 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 1r4c h TYR 34 CO 0.05 0.12 0.25 -0.91 -1.64 0.00 0.00 178.16 176.03 1r4c h ASN 35 N 0.16 0.46 -0.34 -2.11 2.35 -0.91 -1.63 115.58 113.56 1r4c h ASN 35 Ca 0.05 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1r4c h ASN 35 Cb -0.00 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1r4c h ASN 35 CO -0.01 0.35 0.20 0.50 -1.65 0.00 0.00 177.43 176.82 1r4c h LYS 36 N 0.52 0.48 0.00 0.81 3.64 -0.85 -2.86 116.57 118.31 1r4c h LYS 36 Ca 0.14 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1r4c h LYS 36 Cb -0.04 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1r4c h LYS 36 CO -0.03 0.35 -0.79 0.00 -2.27 0.00 0.00 179.45 176.71 1r4c h ALA 37 N 1.74 0.55 -2.36 5.00 0.00 -1.13 -3.48 119.26 119.58 1r4c h ALA 37 Ca 0.13 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.53 1r4c h ALA 37 Cb -0.00 0.00 0.08 0.00 0.00 0.00 0.00 17.79 17.87 1r4c h ALA 37 CO -0.02 0.00 0.39 -1.54 0.00 0.00 0.00 179.25 178.08 1r4c s SER 38 N -4.85 5.62 0.00 0.00 1.04 -0.63 -4.94 113.70 109.93 1r4c s SER 38 Ca 0.03 1.49 0.19 0.00 0.48 0.00 0.00 55.95 58.14 1r4c s SER 38 Cb 0.11 -2.41 0.53 0.00 0.10 0.00 0.00 66.02 64.35 1r4c s SER 38 CO 0.75 -1.28 1.44 0.59 0.98 0.00 0.00 173.24 175.73 1r4c n ASN 39 N -3.01 3.17 -4.74 7.02 3.02 -1.26 -4.93 115.26 114.53 1r4c n ASN 39 Ca 0.07 -1.99 -0.40 0.00 -0.03 0.00 0.00 54.58 52.23 1r4c n ASN 39 Cb 0.54 -0.38 -0.05 0.00 -0.61 0.00 0.00 39.78 39.28 1r4c n ASN 39 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1r4c s ASP 40 N -1.06 7.42 0.17 6.41 -1.08 -1.26 -4.94 116.67 122.33 1r4c s ASP 40 Ca 0.40 1.70 0.25 0.00 -0.52 0.00 0.00 52.55 54.37 1r4c s ASP 40 Cb 0.21 -2.55 0.91 0.00 -1.46 0.00 0.00 42.92 40.04 1r4c s ASP 40 CO 0.28 0.02 1.76 1.15 0.52 0.00 0.00 175.17 178.89 1r4c n MET 41 N 2.50 0.17 -3.69 4.34 0.00 -1.26 -4.77 117.12 114.42 1r4c n MET 41 Ca -0.00 0.24 -0.34 0.00 0.00 0.00 0.00 57.70 57.60 1r4c n MET 41 Cb 0.49 -1.74 -0.05 0.00 0.00 0.00 0.00 33.22 31.92 1r4c n MET 41 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1r4c s TYR 42 N -3.13 3.56 0.07 3.17 2.02 -1.26 -5.06 117.35 116.71 1r4c s TYR 42 Ca 0.09 0.63 -0.30 0.00 -0.37 0.00 0.00 57.07 57.12 1r4c s TYR 42 Cb 0.12 -2.04 -0.05 0.00 -0.40 0.00 0.00 41.96 39.59 1r4c s TYR 42 CO 0.50 0.55 1.14 -1.58 -1.57 0.00 0.00 175.55 174.59 1r4c s HIS 43 N -1.40 3.51 0.15 2.71 5.65 -1.26 -5.05 115.29 119.60 1r4c s HIS 43 Ca 0.32 1.42 0.04 0.00 0.25 0.00 0.00 55.06 57.10 1r4c s HIS 43 Cb -0.13 -3.34 -0.04 0.00 -1.18 0.00 0.00 32.58 27.89 1r4c s HIS 43 CO 0.19 -0.93 0.17 -1.12 -0.65 0.00 0.00 174.74 172.40 1r4c s SER 44 N 0.87 5.75 0.18 9.88 0.01 -1.26 -5.13 113.70 124.00 1r4c s SER 44 Ca 0.56 -0.04 -0.09 0.00 1.31 0.00 0.00 55.95 57.69 1r4c s SER 44 Cb -0.28 -1.58 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 1r4c s SER 44 CO 0.30 0.07 0.30 0.00 0.41 0.00 0.00 173.24 174.32 1r4c s ARG 45 N -3.09 1.22 0.04 12.44 1.70 -1.26 -4.91 118.95 125.09 1r4c s ARG 45 Ca 0.32 -1.21 -0.30 0.00 -0.47 0.00 0.00 55.73 54.06 1r4c s ARG 45 Cb -0.10 0.38 -0.07 0.00 -0.57 0.00 0.00 34.95 34.59 1r4c s ARG 45 CO 0.25 -0.45 1.58 0.00 -1.08 0.00 0.00 175.30 175.60 1r4c s ALA 46 N -3.99 3.65 -0.12 7.88 0.00 -1.26 -4.90 121.76 123.02 1r4c s ALA 46 Ca 0.19 1.09 -0.12 0.00 0.00 0.00 0.00 51.96 53.12 1r4c s ALA 46 Cb 0.03 -3.67 -0.26 0.00 0.00 0.00 0.00 23.12 19.22 1r4c s ALA 46 CO 0.02 -1.08 0.43 1.25 0.00 0.00 0.00 175.76 176.38 1r4c h LEU 47 N 8.67 0.37 -7.06 0.00 6.46 -2.06 -3.48 115.31 118.21 1r4c h LEU 47 Ca -0.41 -0.85 -0.06 0.00 -0.12 0.00 0.00 57.88 56.44 1r4c h LEU 47 Cb 1.19 -0.12 -0.22 0.00 -0.73 0.00 0.00 40.66 40.79 1r4c h LEU 47 CO 0.92 1.73 0.06 -1.58 -0.62 0.00 0.00 178.44 178.95 1r4c s GLN 48 N -2.51 0.77 -0.46 1.25 0.74 -1.26 -5.11 119.66 113.08 1r4c s GLN 48 Ca -0.22 0.92 -0.27 0.00 0.05 0.00 0.00 55.36 55.84 1r4c s GLN 48 Cb 0.06 0.38 0.03 0.00 1.10 0.00 0.00 33.01 34.57 1r4c s GLN 48 CO 0.75 -0.09 1.04 0.08 -0.55 0.00 0.00 175.29 176.52 1r4c s VAL 49 N 0.35 4.34 -0.28 1.34 1.01 -1.26 -4.90 120.40 120.99 1r4c s VAL 49 Ca -0.00 1.03 0.19 0.00 0.00 0.00 0.00 61.98 63.20 1r4c s VAL 49 Cb -0.05 -4.52 0.16 0.00 0.00 0.00 0.00 36.38 31.97 1r4c s VAL 49 CO 0.01 -0.91 1.45 1.62 0.00 0.00 0.00 175.10 177.26 1r4c h VAL 50 N 6.15 0.42 -2.02 2.92 3.04 -2.05 -3.46 116.25 121.25 1r4c h VAL 50 Ca -0.23 -1.61 -0.01 0.00 -1.01 0.00 0.00 66.70 63.83 1r4c h VAL 50 Cb 1.07 2.16 -0.21 0.00 -2.01 0.00 0.00 31.29 32.30 1r4c h VAL 50 CO 1.08 0.24 0.06 -0.60 -1.01 0.00 0.00 177.57 177.34 1r4c s ARG 51 N -3.09 0.76 -0.06 4.17 3.52 -1.26 -5.15 118.95 117.84 1r4c s ARG 51 Ca 0.05 1.11 -0.01 0.00 -0.13 0.00 0.00 55.73 56.75 1r4c s ARG 51 Cb 0.07 0.26 0.03 0.00 -1.56 0.00 0.00 34.95 33.74 1r4c s ARG 51 CO 0.72 -0.13 0.00 0.00 -0.81 0.00 0.00 175.30 175.09 1r4c s ALA 52 N 1.05 0.60 0.08 6.12 0.00 -1.26 -5.13 121.76 123.22 1r4c s ALA 52 Ca -0.05 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1r4c s ALA 52 Cb -0.05 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1r4c s ALA 52 CO -0.10 -0.35 -0.06 1.03 0.00 0.00 0.00 175.76 176.28 1r4c s ARG 53 N 1.71 0.75 0.06 0.00 0.52 -1.26 -2.28 118.95 118.45 1r4c s ARG 53 Ca 0.01 -1.25 -0.06 0.00 -0.52 0.00 0.00 55.73 53.90 1r4c s ARG 53 Cb -0.13 -0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.22 1r4c s ARG 53 CO -0.04 -0.03 0.12 -1.59 0.02 0.00 0.00 175.30 173.78 1r4c s LYS 54 N -3.62 0.69 -0.30 3.54 -2.85 -0.30 -4.86 119.74 112.05 1r4c s LYS 54 Ca 0.08 -0.88 -0.12 0.00 -1.00 0.00 0.00 55.97 54.06 1r4c s LYS 54 Cb 0.04 0.27 0.13 0.00 -2.06 0.00 0.00 37.83 36.22 1r4c s LYS 54 CO -0.05 -0.19 0.73 -1.14 0.10 0.00 0.00 175.35 174.80 1r4c s GLN 55 N -3.23 0.54 0.19 1.78 0.74 -1.26 -0.24 119.66 118.18 1r4c s GLN 55 Ca 0.00 1.25 -0.30 0.00 0.05 0.00 0.00 55.36 56.37 1r4c s GLN 55 Cb 0.02 0.65 -0.08 0.00 1.10 0.00 0.00 33.01 34.70 1r4c s GLN 55 CO -0.07 -0.17 1.15 0.42 -0.55 0.00 0.00 175.29 176.07 1r4c s ILE 56 N 2.56 3.68 0.15 -2.34 1.01 -1.26 -5.03 121.20 119.97 1r4c s ILE 56 Ca -0.06 1.44 0.06 0.00 0.00 0.00 0.00 60.65 62.09 1r4c s ILE 56 Cb -0.09 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1r4c s ILE 56 CO -0.19 0.24 -0.12 0.68 0.00 0.00 0.00 174.94 175.55 1r4c s VAL 57 N -0.19 1.37 0.01 2.92 -7.23 -1.26 -4.85 120.40 111.18 1r4c s VAL 57 Ca 0.51 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 1r4c s VAL 57 Cb -0.31 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 1r4c s VAL 57 CO 0.36 -0.60 -0.03 0.00 -0.31 0.00 0.00 175.10 174.52 1r4c s ALA 58 N -2.85 0.20 0.33 1.32 0.00 -1.26 -5.16 121.76 114.34 1r4c s ALA 58 Ca 0.16 -0.34 -0.12 0.00 0.00 0.00 0.00 51.96 51.65 1r4c s ALA 58 Cb -0.01 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.17 1r4c s ALA 58 CO 0.03 -0.04 0.64 0.20 0.00 0.00 0.00 175.76 176.59 1r4c s GLY 59 N -0.72 0.63 -0.19 0.00 0.00 -1.26 -4.85 107.32 100.93 1r4c s GLY 59 Ca -0.06 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.76 1r4c s GLY 59 CO -0.00 -0.52 -0.17 0.14 0.00 0.00 0.00 173.10 172.55 1r4c s VAL 60 N -3.05 1.96 -0.08 1.40 1.01 0.35 -4.96 120.40 117.03 1r4c s VAL 60 Ca 0.20 -1.00 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 1r4c s VAL 60 Cb -0.03 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1r4c s VAL 60 CO 0.13 0.41 0.78 0.20 0.00 0.00 0.00 175.10 176.62 1r4c s ASN 61 N 1.30 7.05 -0.17 3.32 0.01 -1.26 -0.63 114.94 124.56 1r4c s ASN 61 Ca 0.02 1.27 -0.05 0.00 -0.71 0.00 0.00 52.86 53.39 1r4c s ASN 61 Cb -0.14 -2.45 -0.03 0.00 0.41 0.00 0.00 41.25 39.04 1r4c s ASN 61 CO -0.11 -0.20 -0.00 -0.31 -1.51 0.00 0.00 177.10 174.96 1r4c s TYR 62 N 1.13 3.08 -0.31 2.20 2.02 0.12 -4.95 117.35 120.63 1r4c s TYR 62 Ca 0.40 -0.26 -0.04 0.00 -0.37 0.00 0.00 57.07 56.81 1r4c s TYR 62 Cb -0.18 -2.02 0.04 0.00 -0.40 0.00 0.00 41.96 39.40 1r4c s TYR 62 CO 0.19 -0.05 0.04 -0.06 -1.57 0.00 0.00 175.55 174.10 1r4c s PHE 63 N 0.54 3.25 -0.15 2.71 0.08 -1.26 -0.86 117.98 122.29 1r4c s PHE 63 Ca -0.01 -1.65 0.02 0.00 0.12 0.00 0.00 56.93 55.41 1r4c s PHE 63 Cb -0.14 -2.18 0.01 0.00 -0.57 0.00 0.00 43.02 40.15 1r4c s PHE 63 CO 0.02 -0.76 -0.20 -0.51 -0.10 0.00 0.00 175.22 173.67 1r4c s LEU 64 N 1.32 2.01 -0.33 -0.37 1.43 0.30 -4.99 118.68 118.06 1r4c s LEU 64 Ca -0.03 -0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 52.39 1r4c s LEU 64 Cb -0.19 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.66 1r4c s LEU 64 CO 0.01 0.04 0.16 -1.81 0.23 0.00 0.00 176.35 174.97 1r4c s ASP 65 N 1.03 5.56 -0.01 2.29 1.01 -1.26 -0.10 116.67 125.20 1r4c s ASP 65 Ca -0.03 -0.73 0.03 0.00 0.71 0.00 0.00 52.55 52.53 1r4c s ASP 65 Cb -0.15 -1.99 -0.01 0.00 1.01 0.00 0.00 42.92 41.79 1r4c s ASP 65 CO -0.06 -0.26 -0.09 -0.69 0.21 0.00 0.00 175.17 174.28 1r4c s VAL 66 N 1.57 0.70 -0.25 -1.27 1.01 0.32 -4.95 120.40 117.54 1r4c s VAL 66 Ca 0.03 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 1r4c s VAL 66 Cb -0.18 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1r4c s VAL 66 CO 0.06 0.20 0.32 -0.70 0.00 0.00 0.00 175.10 174.98 1r4c s GLU 67 N -0.20 4.05 -0.00 2.72 2.12 -1.26 0.84 118.70 126.97 1r4c s GLU 67 Ca 0.03 -0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.33 1r4c s GLU 67 Cb -0.04 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 1r4c s GLU 67 CO -0.00 -0.16 0.13 -0.51 -0.54 0.00 0.00 175.26 174.17 1r4c s LEU 68 N 1.71 4.10 0.01 2.70 1.43 0.69 -4.97 118.68 124.37 1r4c s LEU 68 Ca 0.14 0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.53 1r4c s LEU 68 Cb -0.15 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 1r4c s LEU 68 CO 0.09 0.26 -0.21 -0.83 0.23 0.00 0.00 176.35 175.89 1r4c s GLY 69 N -1.86 1.07 -0.02 -3.19 0.00 -1.26 -1.41 107.32 100.65 1r4c s GLY 69 Ca 0.25 -0.98 -0.30 0.00 0.00 0.00 0.00 44.72 43.69 1r4c s GLY 69 CO 0.16 -0.86 1.00 -1.60 0.00 0.00 0.00 173.10 171.80 1r4c s ARG 70 N -0.83 4.52 0.48 2.90 3.52 0.05 -5.00 118.95 124.59 1r4c s ARG 70 Ca 0.08 1.43 0.09 0.00 -0.13 0.00 0.00 55.73 57.20 1r4c s ARG 70 Cb -0.08 -3.48 0.04 0.00 -1.56 0.00 0.00 34.95 29.87 1r4c s ARG 70 CO 0.00 -0.13 0.64 0.95 -0.81 0.00 0.00 175.30 175.95 1r4c s THR 71 N 1.28 2.62 -1.84 4.11 -4.23 -1.26 -1.67 115.64 114.65 1r4c s THR 71 Ca 0.51 -1.03 0.29 0.00 -1.18 0.00 0.00 61.69 60.28 1r4c s THR 71 Cb -0.21 -2.65 0.52 0.00 1.34 0.00 0.00 72.50 71.49 1r4c s THR 71 CO 0.25 0.00 1.87 0.35 -0.54 0.00 0.00 174.62 176.55 1r4c n THR 72 N -1.98 0.00 -3.17 3.99 -2.24 -0.66 -4.64 114.28 105.58 1r4c n THR 72 Ca 0.10 -0.09 -0.38 0.00 -2.27 0.00 0.00 64.05 61.41 1r4c n THR 72 Cb 0.60 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.76 1r4c n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r4c s THR 74 N -1.22 2.39 -0.93 0.00 -4.23 -1.26 -4.93 115.64 105.46 1r4c s THR 74 Ca 0.34 -0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1r4c s THR 74 Cb -0.20 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.59 1r4c s THR 74 CO 0.21 -0.05 0.50 0.29 -0.54 0.00 0.00 174.62 175.03 1r4c n LYS 75 N -2.94 0.93 -1.31 3.99 5.02 -1.26 -3.39 118.16 119.19 1r4c n LYS 75 Ca 0.08 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.37 1r4c n LYS 75 Cb 0.60 -1.43 0.11 0.00 -0.02 0.00 0.00 35.03 34.28 1r4c n LYS 75 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1r4c n THR 76 N 0.07 1.46 -3.72 -0.18 -2.24 -1.26 -5.07 114.28 103.34 1r4c n THR 76 Ca 0.00 -2.64 -0.13 0.00 -2.27 0.00 0.00 64.05 59.00 1r4c n THR 76 Cb 0.25 0.18 -0.09 0.00 -2.10 0.00 0.00 70.33 68.57 1r4c n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r4c s GLN 77 N -2.32 0.54 0.98 -0.78 -2.07 -1.22 -5.17 119.66 109.62 1r4c s GLN 77 Ca 0.37 0.54 -0.15 0.00 -1.82 0.00 0.00 55.36 54.31 1r4c s GLN 77 Cb 0.38 0.26 -0.03 0.00 -1.09 0.00 0.00 33.01 32.53 1r4c s GLN 77 CO -0.08 -0.08 -0.06 -2.30 -1.32 0.00 0.00 175.29 171.45 1r4c n PRO 78 N 2.66 -0.26 -3.68 9.60 -0.02 -1.26 -4.14 135.00 137.89 1r4c n PRO 78 Ca -0.14 -0.05 -0.25 0.00 -2.02 0.00 0.00 63.50 61.04 1r4c n PRO 78 Cb 0.57 -1.55 0.06 0.00 -0.02 0.00 0.00 33.50 32.56 1r4c n PRO 78 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1r4c n ASN 79 N 0.33 -5.13 0.22 2.55 6.94 -1.26 -4.91 115.26 113.99 1r4c n ASN 79 Ca 0.03 -0.64 0.07 0.00 -0.02 0.00 0.00 54.58 54.03 1r4c n ASN 79 Cb 0.55 -4.64 0.48 0.00 -2.36 0.00 0.00 39.78 33.81 1r4c n ASN 79 CO 0.00 0.00 0.00 0.17 -1.03 0.00 0.00 177.26 176.40 1r4c h LEU 80 N -2.39 0.00 -0.84 -4.53 -0.00 -1.97 -3.10 115.31 102.47 1r4c h LEU 80 Ca -0.58 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.30 1r4c h LEU 80 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.03 1r4c h LEU 80 CO 0.59 0.27 0.00 0.47 -0.00 0.00 0.00 178.44 179.77 1r4c n ASP 81 N -3.74 1.29 -0.17 0.17 10.43 -1.26 -3.28 116.55 119.98 1r4c n ASP 81 Ca -0.01 -1.54 0.03 0.00 2.57 0.00 0.00 54.79 55.84 1r4c n ASP 81 Cb 0.38 -0.05 0.00 0.00 1.84 0.00 0.00 41.12 43.29 1r4c n ASP 81 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1r4c n ASN 82 N 0.04 1.08 -4.75 -2.24 5.03 -1.17 -5.05 115.26 108.20 1r4c n ASN 82 Ca 0.18 -1.04 -0.41 0.00 0.87 0.00 0.00 54.58 54.17 1r4c n ASN 82 Cb 0.29 0.39 -0.02 0.00 -1.02 0.00 0.00 39.78 39.43 1r4c n ASN 82 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1r4c s PRO 84 N -0.30 2.65 0.38 0.00 0.02 -1.26 -4.83 135.00 131.66 1r4c s PRO 84 Ca 0.62 1.78 -0.23 0.00 0.02 0.00 0.00 61.00 63.19 1r4c s PRO 84 Cb -0.45 -1.89 -0.10 0.00 0.02 0.00 0.00 34.50 32.08 1r4c s PRO 84 CO 0.44 -1.45 0.96 -0.06 -0.33 0.00 0.00 177.00 176.57 1r4c s PHE 85 N -1.77 3.45 0.38 6.54 0.08 -1.26 -1.65 117.98 123.75 1r4c s PHE 85 Ca 0.76 1.68 -0.26 0.00 0.12 0.00 0.00 56.93 59.23 1r4c s PHE 85 Cb -0.30 -2.92 -0.11 0.00 -0.57 0.00 0.00 43.02 39.12 1r4c s PHE 85 CO 0.38 -0.06 1.14 0.72 -0.10 0.00 0.00 175.22 177.30 1r4c n HIS 86 N -0.09 1.68 -0.09 0.36 8.25 -0.67 -4.74 115.22 119.91 1r4c n HIS 86 Ca 0.05 0.57 -0.10 0.00 -0.26 0.00 0.00 57.72 57.97 1r4c n HIS 86 Cb 0.52 -2.31 -0.13 0.00 1.12 0.00 0.00 29.99 29.18 1r4c n HIS 86 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1r4c n ASP 87 N 0.61 0.95 -4.78 0.41 10.43 -1.26 -4.61 116.55 118.30 1r4c n ASP 87 Ca 0.08 -0.03 -0.36 0.00 2.57 0.00 0.00 54.79 57.05 1r4c n ASP 87 Cb 0.37 0.67 -0.05 0.00 1.84 0.00 0.00 41.12 43.95 1r4c n ASP 87 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1r4c s GLN 88 N -2.43 4.27 0.00 -1.24 -1.52 -1.26 -4.88 119.66 112.59 1r4c s GLN 88 Ca -0.13 1.45 0.00 0.00 -1.95 0.00 0.00 55.36 54.73 1r4c s GLN 88 Cb 0.06 -2.58 0.00 0.00 -0.22 0.00 0.00 33.01 30.27 1r4c s GLN 88 CO 0.69 -0.04 0.35 -2.30 -0.25 0.00 0.00 175.29 173.74 1r4c n PRO 89 N 0.04 0.00 -0.31 2.91 -0.02 -1.26 -1.97 135.00 134.39 1r4c n PRO 89 Ca 0.04 0.35 0.05 0.00 -2.02 0.00 0.00 63.50 61.92 1r4c n PRO 89 Cb 0.50 -0.63 0.18 0.00 -0.02 0.00 0.00 33.50 33.52 1r4c n PRO 89 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1r4c n HIS 90 N -1.18 0.76 -0.11 6.00 8.25 -1.26 -3.77 115.22 123.90 1r4c n HIS 90 Ca 0.00 -0.30 -0.14 0.00 -0.26 0.00 0.00 57.72 57.02 1r4c n HIS 90 Cb 0.00 -0.16 -0.11 0.00 1.12 0.00 0.00 29.99 30.84 1r4c n HIS 90 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1r4c n LEU 91 N 0.42 2.28 -4.73 2.41 4.77 -0.86 -4.98 117.00 116.31 1r4c n LEU 91 Ca 0.13 -0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.60 1r4c n LEU 91 Cb 0.51 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1r4c n LEU 91 CO 0.12 0.77 0.99 2.29 -1.33 0.00 0.00 177.39 180.23 1r4c n LYS 92 N -3.03 2.22 -3.68 3.23 2.85 -0.83 -4.92 118.16 114.00 1r4c n LYS 92 Ca -0.37 0.78 -0.10 0.00 -1.05 0.00 0.00 58.31 57.58 1r4c n LYS 92 Cb 0.96 -2.49 -0.10 0.00 -0.65 0.00 0.00 35.03 32.74 1r4c n LYS 92 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1r4c s ARG 93 N -2.16 0.36 -0.05 -1.58 3.52 -1.26 -5.03 118.95 112.76 1r4c s ARG 93 Ca 0.58 0.90 0.05 0.00 -0.13 0.00 0.00 55.73 57.12 1r4c s ARG 93 Cb -0.50 0.13 -0.00 0.00 -1.56 0.00 0.00 34.95 33.01 1r4c s ARG 93 CO 0.60 -0.20 -0.19 0.15 -0.81 0.00 0.00 175.30 174.86 1r4c s LYS 94 N 1.93 1.92 -0.03 5.12 1.02 -1.26 -0.77 119.74 127.66 1r4c s LYS 94 Ca -0.06 -0.66 -0.03 0.00 0.02 0.00 0.00 55.97 55.23 1r4c s LYS 94 Cb -0.10 -1.66 0.01 0.00 -0.52 0.00 0.00 37.83 35.56 1r4c s LYS 94 CO -0.13 0.27 0.09 0.00 -0.92 0.00 0.00 175.35 174.66 1r4c s ALA 95 N -0.01 -0.22 -0.23 5.17 0.00 -0.50 -0.44 121.76 125.53 1r4c s ALA 95 Ca -0.04 0.24 -0.10 0.00 0.00 0.00 0.00 51.96 52.07 1r4c s ALA 95 Cb -0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 1r4c s ALA 95 CO 0.02 -0.05 0.14 -0.06 0.00 0.00 0.00 175.76 175.82 1r4c s PHE 96 N 0.01 3.30 0.07 0.00 0.40 -0.07 -0.22 117.98 121.48 1r4c s PHE 96 Ca -0.00 0.19 0.08 0.00 -0.60 0.00 0.00 56.93 56.59 1r4c s PHE 96 Cb -0.01 -2.24 -0.03 0.00 0.51 0.00 0.00 43.02 41.25 1r4c s PHE 96 CO 0.00 0.07 -0.21 0.00 0.70 0.00 0.00 175.22 175.78 1r4c s SER 98 N -1.45 3.59 -0.09 0.00 0.01 -0.53 0.12 113.70 115.35 1r4c s SER 98 Ca 0.08 -0.54 0.03 0.00 1.31 0.00 0.00 55.95 56.83 1r4c s SER 98 Cb -0.09 -1.58 0.01 0.00 0.21 0.00 0.00 66.02 64.57 1r4c s SER 98 CO 0.03 0.01 -0.19 -0.36 0.41 0.00 0.00 173.24 173.14 1r4c s PHE 99 N 1.26 2.13 -0.28 2.43 0.08 0.86 -2.65 117.98 121.81 1r4c s PHE 99 Ca 0.03 -0.89 -0.08 0.00 0.12 0.00 0.00 56.93 56.11 1r4c s PHE 99 Cb -0.14 -1.47 -0.02 0.00 -0.57 0.00 0.00 43.02 40.83 1r4c s PHE 99 CO -0.08 -0.40 0.10 -1.14 -0.10 0.00 0.00 175.22 173.61 1r4c s GLN 100 N 0.59 3.46 -0.20 0.44 0.74 -0.57 -0.54 119.66 123.58 1r4c s GLN 100 Ca -0.15 -0.62 -0.04 0.00 0.05 0.00 0.00 55.36 54.61 1r4c s GLN 100 Cb -0.17 -3.43 -0.02 0.00 1.10 0.00 0.00 33.01 30.50 1r4c s GLN 100 CO 0.05 -0.31 -0.04 0.42 -0.55 0.00 0.00 175.29 174.85 1r4c s ILE 101 N 1.60 3.54 -0.37 -2.34 1.09 -0.04 -1.60 121.20 123.07 1r4c s ILE 101 Ca 0.05 -0.45 -0.14 0.00 -1.10 0.00 0.00 60.65 59.01 1r4c s ILE 101 Cb -0.16 -2.58 0.00 0.00 -1.06 0.00 0.00 42.46 38.65 1r4c s ILE 101 CO 0.05 0.44 0.28 -0.47 -0.10 0.00 0.00 174.94 175.14 1r4c s TYR 102 N 1.08 3.23 -0.10 3.97 5.04 0.66 0.12 117.35 131.36 1r4c s TYR 102 Ca 0.01 -0.37 -0.01 0.00 -2.44 0.00 0.00 57.07 54.25 1r4c s TYR 102 Cb -0.15 -2.55 -0.03 0.00 0.35 0.00 0.00 41.96 39.58 1r4c s TYR 102 CO 0.00 -0.48 -0.03 0.00 -1.34 0.00 0.00 175.55 173.70 1r4c s ALA 103 N 1.73 3.10 -0.59 3.97 0.00 0.20 -1.08 121.76 129.09 1r4c s ALA 103 Ca 0.06 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.22 1r4c s ALA 103 Cb -0.18 -1.41 0.15 0.00 0.00 0.00 0.00 23.12 21.68 1r4c s ALA 103 CO 0.10 0.48 0.36 0.08 0.00 0.00 0.00 175.76 176.79 1r4c s VAL 104 N -0.53 2.54 0.49 0.00 1.01 -0.60 -0.50 120.40 122.82 1r4c s VAL 104 Ca 0.08 -3.64 0.16 0.00 0.00 0.00 0.00 61.98 58.59 1r4c s VAL 104 Cb -0.12 -2.72 0.31 0.00 0.00 0.00 0.00 36.38 33.85 1r4c s VAL 104 CO 0.02 -0.91 2.08 1.55 0.00 0.00 0.00 175.10 177.84 1r4c h PRO 105 N 6.02 0.14 0.00 2.72 0.13 -1.92 -0.47 132.00 138.62 1r4c h PRO 105 Ca 0.03 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 1r4c h PRO 105 Cb 0.84 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1r4c h PRO 105 CO 0.67 0.09 -0.10 -1.49 -0.23 0.00 0.00 178.00 176.94 1r4c h TRP 106 N 0.15 0.00 -0.01 1.56 6.55 -1.94 -2.05 115.95 120.20 1r4c h TRP 106 Ca 0.12 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.96 1r4c h TRP 106 Cb 0.29 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.59 1r4c h TRP 106 CO -0.00 0.10 -0.74 1.04 -1.05 0.00 0.00 178.44 177.80 1r4c n GLN 107 N -4.41 0.76 -1.89 0.49 6.02 -0.47 -4.99 117.38 112.89 1r4c n GLN 107 Ca -0.03 -0.42 -0.07 0.00 -0.01 0.00 0.00 57.00 56.47 1r4c n GLN 107 Cb 0.18 -1.45 -0.01 0.00 1.02 0.00 0.00 30.24 29.98 1r4c n GLN 107 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r4c n GLY 108 N 1.43 0.30 3.69 1.08 0.00 -0.31 -5.03 105.19 106.35 1r4c n GLY 108 Ca 0.06 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 1r4c n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r4c s THR 109 N -2.34 3.73 -0.05 2.61 -4.23 -0.94 -5.00 115.64 109.43 1r4c s THR 109 Ca 0.00 -1.72 -0.05 0.00 -1.18 0.00 0.00 61.69 58.74 1r4c s THR 109 Cb 0.00 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.87 1r4c s THR 109 CO 0.00 -0.33 0.15 -0.04 -0.54 0.00 0.00 174.62 173.86 1r4c s MET 110 N -3.60 0.21 -0.02 3.99 -1.94 -1.26 -1.55 119.30 115.14 1r4c s MET 110 Ca 0.31 0.12 0.01 0.00 -1.71 0.00 0.00 55.69 54.42 1r4c s MET 110 Cb -0.07 0.10 0.01 0.00 2.01 0.00 0.00 34.83 36.88 1r4c s MET 110 CO 0.21 -0.03 -0.03 0.99 -0.01 0.00 0.00 175.02 176.14 1r4c s THR 111 N -0.12 0.36 -0.73 2.05 2.01 -0.24 -4.98 115.64 113.99 1r4c s THR 111 Ca -0.02 -0.11 -0.22 0.00 0.31 0.00 0.00 61.69 61.66 1r4c s THR 111 Cb -0.02 -0.36 0.08 0.00 0.01 0.00 0.00 72.50 72.21 1r4c s THR 111 CO 0.00 0.14 1.00 -0.22 -0.69 0.00 0.00 174.62 174.86 1r4c s LEU 112 N 0.43 4.55 0.16 4.42 2.96 -1.26 -0.24 118.68 129.69 1r4c s LEU 112 Ca -0.05 -1.25 0.04 0.00 -0.22 0.00 0.00 54.13 52.65 1r4c s LEU 112 Cb -0.08 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 1r4c s LEU 112 CO -0.00 -1.35 1.37 0.28 -1.32 0.00 0.00 176.35 175.32 1r4c h SER 113 N 9.40 0.18 -4.26 3.68 0.02 -1.68 -3.46 113.55 117.43 1r4c h SER 113 Ca -0.18 -0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 60.47 1r4c h SER 113 Cb 1.06 -0.06 -0.24 0.00 0.14 0.00 0.00 62.40 63.31 1r4c h SER 113 CO 1.17 0.98 -0.42 -0.54 -1.14 0.00 0.00 176.83 176.88 1r4c s LYS 114 N -3.11 0.39 -0.30 3.45 -0.14 -1.20 -4.99 119.74 113.84 1r4c s LYS 114 Ca -0.02 0.09 -0.10 0.00 -1.36 0.00 0.00 55.97 54.59 1r4c s LYS 114 Cb 0.10 0.18 0.14 0.00 -1.68 0.00 0.00 37.83 36.57 1r4c s LYS 114 CO 0.82 -0.08 0.67 0.45 -0.76 0.00 0.00 175.35 176.46 1r4c s SER 115 N -0.43 -1.13 -0.04 2.83 0.15 -1.26 -1.51 113.70 112.31 1r4c s SER 115 Ca -0.05 1.45 -0.04 0.00 0.70 0.00 0.00 55.95 58.01 1r4c s SER 115 Cb -0.04 2.24 0.01 0.00 -1.71 0.00 0.00 66.02 66.53 1r4c s SER 115 CO 0.01 -0.21 0.10 0.42 1.20 0.00 0.00 173.24 174.76 1r4c s THR 116 N 2.86 -0.00 0.09 6.45 -4.23 -1.09 -5.03 115.64 114.70 1r4c s THR 116 Ca -0.03 0.01 0.09 0.00 -1.18 0.00 0.00 61.69 60.57 1r4c s THR 116 Cb -0.12 -0.15 -0.03 0.00 1.34 0.00 0.00 72.50 73.53 1r4c s THR 116 CO -0.19 0.00 -0.22 0.00 -0.54 0.00 0.00 174.62 173.67 1r4c s GLN 118 N -1.74 2.32 0.36 0.00 0.74 0.45 -4.96 119.66 116.83 1r4c s GLN 118 Ca 0.08 -0.58 -0.25 0.00 0.05 0.00 0.00 55.36 54.66 1r4c s GLN 118 Cb -0.10 -2.02 -0.13 0.00 1.10 0.00 0.00 33.01 31.87 1r4c s GLN 118 CO 0.04 -0.13 0.86 -0.25 -0.55 0.00 0.00 175.29 175.26 1r4c n ASP 119 N 4.41 0.55 0.00 6.67 10.43 -1.26 -0.89 116.55 136.46 1r4c n ASP 119 Ca -0.18 1.06 0.00 0.00 2.57 0.00 0.00 54.79 58.23 1r4c n ASP 119 Cb 0.51 -1.24 0.00 0.00 1.84 0.00 0.00 41.12 42.23 1r4c n ASP 119 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13